2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18Cl2N8O — CID 90199269

IUPAC2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2c(Cl)cncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1
InChIInChI=1S/C17H18Cl2N8O/c1-25-2-4-26(5-3-25)14-11(19)7-21-8-12(14)23-17(28)13-15(20)24-27-9-10(18)6-22-16(13)27/h6-9H,2-5H2,1H3,(H2,20,24)(H,23,28)
InChIKeyAZHNIKKKSGBOLG-UHFFFAOYSA-N
MW421.29 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199269) has the molecular formula C17H18Cl2N8O and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199269
Molecular FormulaC17H18Cl2N8O
Molecular Weight421.29 g/mol
Exact Mass420.10
IUPAC Name2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2c(Cl)cncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1
InChIInChI=1S/C17H18Cl2N8O/c1-25-2-4-26(5-3-25)14-11(19)7-21-8-12(14)23-17(28)13-15(20)24-27-9-10(18)6-22-16(13)27/h6-9H,2-5H2,1H3,(H2,20,24)(H,23,28)
InChIKeyAZHNIKKKSGBOLG-UHFFFAOYSA-N
XLogP2.02
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199269) is 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(c2c(Cl)cncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AZHNIKKKSGBOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N8O/c1-25-2-4-26(5-3-25)14-11(19)7-21-8-12(14)23-17(28)13-15(20)24-27-9-10(18)6-22-16(13)27/h6-9H,2-5H2,1H3,(H2,20,24)(H,23,28).
What are the key properties of 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[5-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).