N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide

C67H75N23O2 — CID 158330554

IUPACN-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccc(-c3c[nH]c4ncccc34)n2)CC1.CN1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1.NC1CCN(c2nccc(-c3c[nH]c4ncccc34)n2)CC1.c1cnc2[nH]cc(-c3ccnc(NC4CCOCC4)n3)c2c1
InChIInChI=1S/C18H20N6O.C17H20N6.C16H18N6.C16H17N5O/c1-12(25)22-13-5-9-24(10-6-13)18-20-8-4-16(23-18)15-11-21-17-14(15)3-2-7-19-17;1-23-9-5-12(6-10-23)21-17-19-8-4-15(22-17)14-11-20-16-13(14)3-2-7-18-16;17-11-4-8-22(9-5-11)16-19-7-3-14(21-16)13-10-20-15-12(13)2-1-6-18-15;1-2-12-13(10-19-15(12)17-6-1)14-3-7-18-16(21-14)20-11-4-8-22-9-5-11/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,21)(H,22,25);2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,20)(H,19,21,22);1-3,6-7,10-11H,4-5,8-9,17H2,(H,18,20);1-3,6-7,10-11H,4-5,8-9H2,(H,17,19)(H,18,20,21)
InChIKeyGPYKJVQXAOVNQI-UHFFFAOYSA-N
MW1234.50 g/mol
LogP9.21
Rot. Bonds11

About N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide

N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide (PubChem CID 158330554) has the molecular formula C67H75N23O2 and a molecular weight of 1234.50 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide
PubChem CID158330554
Molecular FormulaC67H75N23O2
Molecular Weight1234.50 g/mol
Exact Mass1233.65
IUPAC NameN-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccc(-c3c[nH]c4ncccc34)n2)CC1.CN1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1.NC1CCN(c2nccc(-c3c[nH]c4ncccc34)n2)CC1.c1cnc2[nH]cc(-c3ccnc(NC4CCOCC4)n3)c2c1
InChIInChI=1S/C18H20N6O.C17H20N6.C16H18N6.C16H17N5O/c1-12(25)22-13-5-9-24(10-6-13)18-20-8-4-16(23-18)15-11-21-17-14(15)3-2-7-19-17;1-23-9-5-12(6-10-23)21-17-19-8-4-15(22-17)14-11-20-16-13(14)3-2-7-18-16;17-11-4-8-22(9-5-11)16-19-7-3-14(21-16)13-10-20-15-12(13)2-1-6-18-15;1-2-12-13(10-19-15(12)17-6-1)14-3-7-18-16(21-14)20-11-4-8-22-9-5-11/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,21)(H,22,25);2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,20)(H,19,21,22);1-3,6-7,10-11H,4-5,8-9,17H2,(H,18,20);1-3,6-7,10-11H,4-5,8-9H2,(H,17,19)(H,18,20,21)
InChIKeyGPYKJVQXAOVNQI-UHFFFAOYSA-N
XLogP9.21
TPSA315.97 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001234.50
LogP ≤ 59.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide (CID 158330554) is N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nccc(-c3c[nH]c4ncccc34)n2)CC1.CN1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1.NC1CCN(c2nccc(-c3c[nH]c4ncccc34)n2)CC1.c1cnc2[nH]cc(-c3ccnc(NC4CCOCC4)n3)c2c1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is GPYKJVQXAOVNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.C17H20N6.C16H18N6.C16H17N5O/c1-12(25)22-13-5-9-24(10-6-13)18-20-8-4-16(23-18)15-11-21-17-14(15)3-2-7-19-17;1-23-9-5-12(6-10-23)21-17-19-8-4-15(22-17)14-11-20-16-13(14)3-2-7-18-16;17-11-4-8-22(9-5-11)16-19-7-3-14(21-16)13-10-20-15-12(13)2-1-6-18-15;1-2-12-13(10-19-15(12)17-6-1)14-3-7-18-16(21-14)20-11-4-8-22-9-5-11/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,21)(H,22,25);2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,20)(H,19,21,22);1-3,6-7,10-11H,4-5,8-9,17H2,(H,18,20);1-3,6-7,10-11H,4-5,8-9H2,(H,17,19)(H,18,20,21).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide?
N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 1234.50 g/mol, XLogP of 9.21, 11 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 158330554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).