5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

C16H17ClN6 — CID 162674706

IUPAC5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESClc1cnc(N[C@H]2CCCNC2)nc1-c1cnn2ccccc12
InChIInChI=1S/C16H17ClN6/c17-13-10-19-16(21-11-4-3-6-18-8-11)22-15(13)12-9-20-23-7-2-1-5-14(12)23/h1-2,5,7,9-11,18H,3-4,6,8H2,(H,19,21,22)/t11-/m0/s1
InChIKeyVARHZJVBOVJDPK-NSHDSACASA-N
MW328.81 g/mol
LogP2.61
Rot. Bonds3

About 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine

5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (PubChem CID 162674706) has the molecular formula C16H17ClN6 and a molecular weight of 328.81 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
PubChem CID162674706
Molecular FormulaC16H17ClN6
Molecular Weight328.81 g/mol
Exact Mass328.12
IUPAC Name5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
SMILESClc1cnc(N[C@H]2CCCNC2)nc1-c1cnn2ccccc12
InChIInChI=1S/C16H17ClN6/c17-13-10-19-16(21-11-4-3-6-18-8-11)22-15(13)12-9-20-23-7-2-1-5-14(12)23/h1-2,5,7,9-11,18H,3-4,6,8H2,(H,19,21,22)/t11-/m0/s1
InChIKeyVARHZJVBOVJDPK-NSHDSACASA-N
XLogP2.61
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine (CID 162674706) is 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is Clc1cnc(N[C@H]2CCCNC2)nc1-c1cnn2ccccc12.
What is the InChIKey of 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
The InChIKey is VARHZJVBOVJDPK-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN6/c17-13-10-19-16(21-11-4-3-6-18-8-11)22-15(13)12-9-20-23-7-2-1-5-14(12)23/h1-2,5,7,9-11,18H,3-4,6,8H2,(H,19,21,22)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine?
5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine has a molecular weight of 328.81 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 162674706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).