7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide

C24H21N7O — CID 137379365

IUPAC7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide
SMILESCC(C)NC(=O)c1ccc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2n1
InChIInChI=1S/C24H21N7O/c1-14(2)27-24(32)20-7-5-15-3-4-16(12-21(15)29-20)23-25-10-9-22(30-23)28-18-6-8-19-17(11-18)13-26-31-19/h3-14H,1-2H3,(H,26,31)(H,27,32)(H,25,28,30)
InChIKeyWOXDLUMCSXNSRJ-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.45
Rot. Bonds5

About 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide

7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide (PubChem CID 137379365) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide
PubChem CID137379365
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide
SMILESCC(C)NC(=O)c1ccc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2n1
InChIInChI=1S/C24H21N7O/c1-14(2)27-24(32)20-7-5-15-3-4-16(12-21(15)29-20)23-25-10-9-22(30-23)28-18-6-8-19-17(11-18)13-26-31-19/h3-14H,1-2H3,(H,26,31)(H,27,32)(H,25,28,30)
InChIKeyWOXDLUMCSXNSRJ-UHFFFAOYSA-N
XLogP4.45
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide?
The IUPAC name of 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide (CID 137379365) is 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide.
What is the SMILES notation for 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide?
The canonical SMILES for 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide is CC(C)NC(=O)c1ccc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2n1.
What is the InChIKey of 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide?
The InChIKey is WOXDLUMCSXNSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-14(2)27-24(32)20-7-5-15-3-4-16(12-21(15)29-20)23-25-10-9-22(30-23)28-18-6-8-19-17(11-18)13-26-31-19/h3-14H,1-2H3,(H,26,31)(H,27,32)(H,25,28,30).
What are the key properties of 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide?
7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 137379365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).