N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C24H28N8O — CID 58709959

IUPACN-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCn1ncc2cc(Nc3ncnc4[nH]c(C5=CCN(C(=O)NC(C)(C)C)CC5)cc34)ccc21
InChIInChI=1S/C24H28N8O/c1-24(2,3)30-23(33)32-9-7-15(8-10-32)19-12-18-21(25-14-26-22(18)29-19)28-17-5-6-20-16(11-17)13-27-31(20)4/h5-7,11-14H,8-10H2,1-4H3,(H,30,33)(H2,25,26,28,29)
InChIKeyVGALDLZJSSOSJY-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.19
Rot. Bonds3

About N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 58709959) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID58709959
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC NameN-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCn1ncc2cc(Nc3ncnc4[nH]c(C5=CCN(C(=O)NC(C)(C)C)CC5)cc34)ccc21
InChIInChI=1S/C24H28N8O/c1-24(2,3)30-23(33)32-9-7-15(8-10-32)19-12-18-21(25-14-26-22(18)29-19)28-17-5-6-20-16(11-17)13-27-31(20)4/h5-7,11-14H,8-10H2,1-4H3,(H,30,33)(H2,25,26,28,29)
InChIKeyVGALDLZJSSOSJY-UHFFFAOYSA-N
XLogP4.19
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 58709959) is N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cn1ncc2cc(Nc3ncnc4[nH]c(C5=CCN(C(=O)NC(C)(C)C)CC5)cc34)ccc21.
What is the InChIKey of N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is VGALDLZJSSOSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-24(2,3)30-23(33)32-9-7-15(8-10-32)19-12-18-21(25-14-26-22(18)29-19)28-17-5-6-20-16(11-17)13-27-31(20)4/h5-7,11-14H,8-10H2,1-4H3,(H,30,33)(H2,25,26,28,29).
What are the key properties of N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 58709959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).