N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide

C29H37N9O4 — CID 164539052

IUPACN-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
SMILESC=CC(=O)N[C@@H]1CCCN(Cc2ccnc(C(=O)NC3CCN(c4nc5c(N6CCOCC6)ncnc5o4)CC3)c2)C1
InChIInChI=1S/C29H37N9O4/c1-2-24(39)33-22-4-3-9-36(18-22)17-20-5-8-30-23(16-20)27(40)34-21-6-10-38(11-7-21)29-35-25-26(31-19-32-28(25)42-29)37-12-14-41-15-13-37/h2,5,8,16,19,21-22H,1,3-4,6-7,9-15,17-18H2,(H,33,39)(H,34,40)/t22-/m1/s1
InChIKeyXCYSJFJBNHPLSY-JOCHJYFZSA-N
MW575.67 g/mol
LogP1.51
Rot. Bonds8

About N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide

N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 164539052) has the molecular formula C29H37N9O4 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
PubChem CID164539052
Molecular FormulaC29H37N9O4
Molecular Weight575.67 g/mol
Exact Mass575.30
IUPAC NameN-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
SMILESC=CC(=O)N[C@@H]1CCCN(Cc2ccnc(C(=O)NC3CCN(c4nc5c(N6CCOCC6)ncnc5o4)CC3)c2)C1
InChIInChI=1S/C29H37N9O4/c1-2-24(39)33-22-4-3-9-36(18-22)17-20-5-8-30-23(16-20)27(40)34-21-6-10-38(11-7-21)29-35-25-26(31-19-32-28(25)42-29)37-12-14-41-15-13-37/h2,5,8,16,19,21-22H,1,3-4,6-7,9-15,17-18H2,(H,33,39)(H,34,40)/t22-/m1/s1
InChIKeyXCYSJFJBNHPLSY-JOCHJYFZSA-N
XLogP1.51
TPSA141.85 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide (CID 164539052) is N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide is C=CC(=O)N[C@@H]1CCCN(Cc2ccnc(C(=O)NC3CCN(c4nc5c(N6CCOCC6)ncnc5o4)CC3)c2)C1.
What is the InChIKey of N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide?
The InChIKey is XCYSJFJBNHPLSY-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H37N9O4/c1-2-24(39)33-22-4-3-9-36(18-22)17-20-5-8-30-23(16-20)27(40)34-21-6-10-38(11-7-21)29-35-25-26(31-19-32-28(25)42-29)37-12-14-41-15-13-37/h2,5,8,16,19,21-22H,1,3-4,6-7,9-15,17-18H2,(H,33,39)(H,34,40)/t22-/m1/s1.
What are the key properties of N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide?
N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 575.67 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-2-yl)piperidin-4-yl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 164539052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).