N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide

C25H29N7O2 — CID 170010188

IUPACN-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CC2)c2cc(-c3ccn4nc(NC(=O)CN(C)C)nc4c3)ccc21
InChIInChI=1S/C25H29N7O2/c1-4-31-14-20(24(34)26-13-16-5-6-16)19-11-17(7-8-21(19)31)18-9-10-32-22(12-18)27-25(29-32)28-23(33)15-30(2)3/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,26,34)(H,28,29,33)
InChIKeyKROLZNIRNPANBP-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.01
Rot. Bonds8

About N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide

N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide (PubChem CID 170010188) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide
PubChem CID170010188
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC NameN-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CC2)c2cc(-c3ccn4nc(NC(=O)CN(C)C)nc4c3)ccc21
InChIInChI=1S/C25H29N7O2/c1-4-31-14-20(24(34)26-13-16-5-6-16)19-11-17(7-8-21(19)31)18-9-10-32-22(12-18)27-25(29-32)28-23(33)15-30(2)3/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,26,34)(H,28,29,33)
InChIKeyKROLZNIRNPANBP-UHFFFAOYSA-N
XLogP3.01
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide (CID 170010188) is N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide is CCn1cc(C(=O)NCC2CC2)c2cc(-c3ccn4nc(NC(=O)CN(C)C)nc4c3)ccc21.
What is the InChIKey of N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide?
The InChIKey is KROLZNIRNPANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-4-31-14-20(24(34)26-13-16-5-6-16)19-11-17(7-8-21(19)31)18-9-10-32-22(12-18)27-25(29-32)28-23(33)15-30(2)3/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,26,34)(H,28,29,33).
What are the key properties of N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide?
N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[2-[[2-(dimethylamino)acetyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-ethylindole-3-carboxamide is sourced from PubChem (CID 170010188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).