2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide

C21H21N7O3 — CID 118608421

IUPAC2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
SMILESCn1ncc2cc(N3CCC(O)C3)c(NC(=O)c3coc(-c4cccnc4N)n3)cc21
InChIInChI=1S/C21H21N7O3/c1-27-17-8-15(18(7-12(17)9-24-27)28-6-4-13(29)10-28)25-20(30)16-11-31-21(26-16)14-3-2-5-23-19(14)22/h2-3,5,7-9,11,13,29H,4,6,10H2,1H3,(H2,22,23)(H,25,30)
InChIKeyVATBIHPWNSHZSL-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.03
Rot. Bonds4

About 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide

2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118608421) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
PubChem CID118608421
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
SMILESCn1ncc2cc(N3CCC(O)C3)c(NC(=O)c3coc(-c4cccnc4N)n3)cc21
InChIInChI=1S/C21H21N7O3/c1-27-17-8-15(18(7-12(17)9-24-27)28-6-4-13(29)10-28)25-20(30)16-11-31-21(26-16)14-3-2-5-23-19(14)22/h2-3,5,7-9,11,13,29H,4,6,10H2,1H3,(H2,22,23)(H,25,30)
InChIKeyVATBIHPWNSHZSL-UHFFFAOYSA-N
XLogP2.03
TPSA135.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide (CID 118608421) is 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide is Cn1ncc2cc(N3CCC(O)C3)c(NC(=O)c3coc(-c4cccnc4N)n3)cc21.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is VATBIHPWNSHZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-27-17-8-15(18(7-12(17)9-24-27)28-6-4-13(29)10-28)25-20(30)16-11-31-21(26-16)14-3-2-5-23-19(14)22/h2-3,5,7-9,11,13,29H,4,6,10H2,1H3,(H2,22,23)(H,25,30).
What are the key properties of 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide?
2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118608421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).