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

C19H23ClN8O — CID 90199311

IUPAC2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1(C)C
InChIInChI=1S/C19H23ClN8O/c1-19(2)11-27(7-6-26(19)3)14-4-5-22-9-13(14)24-18(29)15-16(21)25-28-10-12(20)8-23-17(15)28/h4-5,8-10H,6-7,11H2,1-3H3,(H2,21,25)(H,24,29)
InChIKeyOWFQZKFQGAWKBU-UHFFFAOYSA-N
MW414.90 g/mol
LogP2.14
Rot. Bonds3

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

2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199311) has the molecular formula C19H23ClN8O and a molecular weight of 414.90 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199311
Molecular FormulaC19H23ClN8O
Molecular Weight414.90 g/mol
Exact Mass414.17
IUPAC Name2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1(C)C
InChIInChI=1S/C19H23ClN8O/c1-19(2)11-27(7-6-26(19)3)14-4-5-22-9-13(14)24-18(29)15-16(21)25-28-10-12(20)8-23-17(15)28/h4-5,8-10H,6-7,11H2,1-3H3,(H2,21,25)(H,24,29)
InChIKeyOWFQZKFQGAWKBU-UHFFFAOYSA-N
XLogP2.14
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 52.14
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-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199311) is 2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1(C)C.
What is the InChIKey of 2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OWFQZKFQGAWKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN8O/c1-19(2)11-27(7-6-26(19)3)14-4-5-22-9-13(14)24-18(29)15-16(21)25-28-10-12(20)8-23-17(15)28/h4-5,8-10H,6-7,11H2,1-3H3,(H2,21,25)(H,24,29).
What are the key properties of 2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.90 g/mol, XLogP of 2.14, 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-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).