2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16ClN9O — CID 90199412

IUPAC2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCn2cncc2C1
InChIInChI=1S/C18H16ClN9O/c19-11-5-23-17-15(16(20)25-28(17)8-11)18(29)24-13-7-21-2-1-14(13)26-3-4-27-10-22-6-12(27)9-26/h1-2,5-8,10H,3-4,9H2,(H2,20,25)(H,24,29)
InChIKeySOZLBTJNUOAWQC-UHFFFAOYSA-N
MW409.84 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199412) has the molecular formula C18H16ClN9O and a molecular weight of 409.84 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199412
Molecular FormulaC18H16ClN9O
Molecular Weight409.84 g/mol
Exact Mass409.12
IUPAC Name2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCn2cncc2C1
InChIInChI=1S/C18H16ClN9O/c19-11-5-23-17-15(16(20)25-28(17)8-11)18(29)24-13-7-21-2-1-14(13)26-3-4-27-10-22-6-12(27)9-26/h1-2,5-8,10H,3-4,9H2,(H2,20,25)(H,24,29)
InChIKeySOZLBTJNUOAWQC-UHFFFAOYSA-N
XLogP1.83
TPSA119.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199412) is 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCn2cncc2C1.
What is the InChIKey of 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SOZLBTJNUOAWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN9O/c19-11-5-23-17-15(16(20)25-28(17)8-11)18(29)24-13-7-21-2-1-14(13)26-3-4-27-10-22-6-12(27)9-26/h1-2,5-8,10H,3-4,9H2,(H2,20,25)(H,24,29).
What are the key properties of 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.84 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).