PI3K|A-IN-10

Name: PI3K|A-IN-10 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₆ClN₉ — CID 153046650

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,4-diamino-6-[[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile

SMILESC[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(Cl)ccc12

InChIInChI=1S/C19H16ClN9/c1-10(25-18-14(8-21)17(22)26-19(23)27-18)16-13-5-4-11(20)7-15(13)29(28-16)12-3-2-6-24-9-12/h2-7,9-10H,1H3,(H5,22,23,25,26,27)/t10-/m0/s1

InChIKeyVGSSLTPCGYPSOR-JTQLQIEISA-N

MW405.85 g/mol

LogP3.07

Rot. Bonds4

About PI3K|A-IN-10

PI3K|A-IN-10 (PubChem CID 153046650) has the molecular formula C₁₉H₁₆ClN₉ and a molecular weight of 405.85 g/mol. Its IUPAC name is 2,4-diamino-6-[[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name	PI3K\|A-IN-10
PubChem CID	153046650
Molecular Formula	C₁₉H₁₆ClN₉
Molecular Weight	405.85 g/mol
Exact Mass	405.12
IUPAC Name	2,4-diamino-6-[[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILES	C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(Cl)ccc12
InChI	InChI=1S/C19H16ClN9/c1-10(25-18-14(8-21)17(22)26-19(23)27-18)16-13-5-4-11(20)7-15(13)29(28-16)12-3-2-6-24-9-12/h2-7,9-10H,1H3,(H5,22,23,25,26,27)/t10-/m0/s1
InChIKey	VGSSLTPCGYPSOR-JTQLQIEISA-N
XLogP	3.07
TPSA	144.35 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	4
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.85
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of PI3K|A-IN-10?

The IUPAC name of PI3K|A-IN-10 (CID 153046650) is 2,4-diamino-6-[[(1S)-1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]amino]pyrimidine-5-carbonitrile.

What is the SMILES notation for PI3K|A-IN-10?

The canonical SMILES for PI3K|A-IN-10 is C[C@H](Nc1nc(N)nc(N)c1C#N)c1nn(-c2cccnc2)c2cc(Cl)ccc12.

What is the InChIKey of PI3K|A-IN-10?

The InChIKey is VGSSLTPCGYPSOR-JTQLQIEISA-N. The full InChI is InChI=1S/C19H16ClN9/c1-10(25-18-14(8-21)17(22)26-19(23)27-18)16-13-5-4-11(20)7-15(13)29(28-16)12-3-2-6-24-9-12/h2-7,9-10H,1H3,(H5,22,23,25,26,27)/t10-/m0/s1.

What are the key properties of PI3K|A-IN-10?

PI3K|A-IN-10 has a molecular weight of 405.85 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for PI3K|A-IN-10 is sourced from PubChem (CID 153046650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 153046650 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.