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

C27H19N9O — CID 137379410

IUPACN-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C27H19N9O/c37-27(32-20-4-6-22-18(10-20)14-30-36-22)24-11-15-1-2-16(12-23(15)33-24)26-28-8-7-25(34-26)31-19-3-5-21-17(9-19)13-29-35-21/h1-14,33H,(H,29,35)(H,30,36)(H,32,37)(H,28,31,34)
InChIKeyMKTVYEHEGDLQPF-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.37
Rot. Bonds5

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

N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide (PubChem CID 137379410) has the molecular formula C27H19N9O and a molecular weight of 485.51 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
PubChem CID137379410
Molecular FormulaC27H19N9O
Molecular Weight485.51 g/mol
Exact Mass485.17
IUPAC NameN-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1
InChIInChI=1S/C27H19N9O/c37-27(32-20-4-6-22-18(10-20)14-30-36-22)24-11-15-1-2-16(12-23(15)33-24)26-28-8-7-25(34-26)31-19-3-5-21-17(9-19)13-29-35-21/h1-14,33H,(H,29,35)(H,30,36)(H,32,37)(H,28,31,34)
InChIKeyMKTVYEHEGDLQPF-UHFFFAOYSA-N
XLogP5.37
TPSA140.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide (CID 137379410) is N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide?
The InChIKey is MKTVYEHEGDLQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N9O/c37-27(32-20-4-6-22-18(10-20)14-30-36-22)24-11-15-1-2-16(12-23(15)33-24)26-28-8-7-25(34-26)31-19-3-5-21-17(9-19)13-29-35-21/h1-14,33H,(H,29,35)(H,30,36)(H,32,37)(H,28,31,34).
What are the key properties of N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide?
N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137379410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).