N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide

C23H21ClN6O — CID 86279101

IUPACN-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
SMILESO=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C23H21ClN6O/c24-20-5-2-11-27-22(20)30(18-4-1-10-25-14-18)23(31)17-8-6-16(7-9-17)19-15-28-29-13-3-12-26-21(19)29/h2-3,5-9,11-13,15,18,25H,1,4,10,14H2/t18-/m1/s1
InChIKeyTXOUQWKNVZZCNT-GOSISDBHSA-N
MW432.92 g/mol
LogP3.84
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide

N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide (PubChem CID 86279101) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
PubChem CID86279101
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC NameN-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
SMILESO=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C23H21ClN6O/c24-20-5-2-11-27-22(20)30(18-4-1-10-25-14-18)23(31)17-8-6-16(7-9-17)19-15-28-29-13-3-12-26-21(19)29/h2-3,5-9,11-13,15,18,25H,1,4,10,14H2/t18-/m1/s1
InChIKeyTXOUQWKNVZZCNT-GOSISDBHSA-N
XLogP3.84
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide (CID 86279101) is N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide is O=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide?
The InChIKey is TXOUQWKNVZZCNT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21ClN6O/c24-20-5-2-11-27-22(20)30(18-4-1-10-25-14-18)23(31)17-8-6-16(7-9-17)19-15-28-29-13-3-12-26-21(19)29/h2-3,5-9,11-13,15,18,25H,1,4,10,14H2/t18-/m1/s1.
What are the key properties of N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide?
N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide has a molecular weight of 432.92 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide is sourced from PubChem (CID 86279101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).