N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide

C25H19ClN8O — CID 139465621

IUPACN-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccncc1Cl)N1CCc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc21
InChIInChI=1S/C25H19ClN8O/c26-19-14-27-8-5-21(19)31-25(35)34-10-7-15-1-2-16(12-22(15)34)24-28-9-6-23(32-24)30-18-3-4-20-17(11-18)13-29-33-20/h1-6,8-9,11-14H,7,10H2,(H,29,33)(H,27,31,35)(H,28,30,32)
InChIKeyUSGXALJSTSHTRS-UHFFFAOYSA-N
MW482.94 g/mol
LogP5.41
Rot. Bonds4

About N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide

N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 139465621) has the molecular formula C25H19ClN8O and a molecular weight of 482.94 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID139465621
Molecular FormulaC25H19ClN8O
Molecular Weight482.94 g/mol
Exact Mass482.14
IUPAC NameN-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccncc1Cl)N1CCc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc21
InChIInChI=1S/C25H19ClN8O/c26-19-14-27-8-5-21(19)31-25(35)34-10-7-15-1-2-16(12-22(15)34)24-28-9-6-23(32-24)30-18-3-4-20-17(11-18)13-29-33-20/h1-6,8-9,11-14H,7,10H2,(H,29,33)(H,27,31,35)(H,28,30,32)
InChIKeyUSGXALJSTSHTRS-UHFFFAOYSA-N
XLogP5.41
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.94
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide (CID 139465621) is N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccncc1Cl)N1CCc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc21.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is USGXALJSTSHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN8O/c26-19-14-27-8-5-21(19)31-25(35)34-10-7-15-1-2-16(12-22(15)34)24-28-9-6-23(32-24)30-18-3-4-20-17(11-18)13-29-33-20/h1-6,8-9,11-14H,7,10H2,(H,29,33)(H,27,31,35)(H,28,30,32).
What are the key properties of N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide?
N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 482.94 g/mol, XLogP of 5.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 139465621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).