6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide

C29H28N10O — CID 137379383

IUPAC6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide
SMILESCN1CCC(n2cc(NC(=O)c3cc4ccc(-c5nccc(Nc6ccc7[nH]ncc7c6)n5)cc4[nH]3)cn2)CC1
InChIInChI=1S/C29H28N10O/c1-38-10-7-23(8-11-38)39-17-22(16-32-39)34-29(40)26-13-18-2-3-19(14-25(18)35-26)28-30-9-6-27(36-28)33-21-4-5-24-20(12-21)15-31-37-24/h2-6,9,12-17,23,35H,7-8,10-11H2,1H3,(H,31,37)(H,34,40)(H,30,33,36)
InChIKeyPPDALXKYOANSLK-UHFFFAOYSA-N
MW532.61 g/mol
LogP4.96
Rot. Bonds6

About 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide

6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide (PubChem CID 137379383) has the molecular formula C29H28N10O and a molecular weight of 532.61 g/mol. Its IUPAC name is 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide
PubChem CID137379383
Molecular FormulaC29H28N10O
Molecular Weight532.61 g/mol
Exact Mass532.24
IUPAC Name6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide
SMILESCN1CCC(n2cc(NC(=O)c3cc4ccc(-c5nccc(Nc6ccc7[nH]ncc7c6)n5)cc4[nH]3)cn2)CC1
InChIInChI=1S/C29H28N10O/c1-38-10-7-23(8-11-38)39-17-22(16-32-39)34-29(40)26-13-18-2-3-19(14-25(18)35-26)28-30-9-6-27(36-28)33-21-4-5-24-20(12-21)15-31-37-24/h2-6,9,12-17,23,35H,7-8,10-11H2,1H3,(H,31,37)(H,34,40)(H,30,33,36)
InChIKeyPPDALXKYOANSLK-UHFFFAOYSA-N
XLogP4.96
TPSA132.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.61
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide (CID 137379383) is 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide is CN1CCC(n2cc(NC(=O)c3cc4ccc(-c5nccc(Nc6ccc7[nH]ncc7c6)n5)cc4[nH]3)cn2)CC1.
What is the InChIKey of 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide?
The InChIKey is PPDALXKYOANSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N10O/c1-38-10-7-23(8-11-38)39-17-22(16-32-39)34-29(40)26-13-18-2-3-19(14-25(18)35-26)28-30-9-6-27(36-28)33-21-4-5-24-20(12-21)15-31-37-24/h2-6,9,12-17,23,35H,7-8,10-11H2,1H3,(H,31,37)(H,34,40)(H,30,33,36).
What are the key properties of 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide?
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide has a molecular weight of 532.61 g/mol, XLogP of 4.96, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137379383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).