2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20ClN9O2 — CID 129098030

IUPAC2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)cn1
InChIInChI=1S/C23H20ClN9O2/c1-12(30-23(35)18-20(25)31-33-7-3-6-28-21(18)33)14-8-15(24)17-10-27-11-32(17)19(14)13-4-5-16(29-9-13)22(34)26-2/h3-12H,1-2H3,(H2,25,31)(H,26,34)(H,30,35)
InChIKeyDTFQEAOTPCEXOS-UHFFFAOYSA-N
MW489.93 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129098030) has the molecular formula C23H20ClN9O2 and a molecular weight of 489.93 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129098030
Molecular FormulaC23H20ClN9O2
Molecular Weight489.93 g/mol
Exact Mass489.14
IUPAC Name2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)cn1
InChIInChI=1S/C23H20ClN9O2/c1-12(30-23(35)18-20(25)31-33-7-3-6-28-21(18)33)14-8-15(24)17-10-27-11-32(17)19(14)13-4-5-16(29-9-13)22(34)26-2/h3-12H,1-2H3,(H2,25,31)(H,26,34)(H,30,35)
InChIKeyDTFQEAOTPCEXOS-UHFFFAOYSA-N
XLogP2.53
TPSA144.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.93
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129098030) is 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1ccc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)cn1.
What is the InChIKey of 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DTFQEAOTPCEXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN9O2/c1-12(30-23(35)18-20(25)31-33-7-3-6-28-21(18)33)14-8-15(24)17-10-27-11-32(17)19(14)13-4-5-16(29-9-13)22(34)26-2/h3-12H,1-2H3,(H2,25,31)(H,26,34)(H,30,35).
What are the key properties of 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 489.93 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[8-chloro-5-[6-(methylcarbamoyl)-3-pyridinyl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129098030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).