ZHJVVNMSPVPCJI-UHFFFAOYSA-N

Name: ZHJVVNMSPVPCJI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₉H₂₈F₂N₆O₃ — CID 146250691

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

IUPAC5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxy-N-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyphenyl)quinazolin-4-amine

SMILESCOc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccc5ccnn5c4)c(C)c3)ncnc2c1

InChIInChI=1S/C29H28F2N6O3/c1-18-12-19(4-7-24(18)39-21-6-5-20-8-10-34-37(20)15-21)35-28-27-23(32-17-33-28)13-22(38-3)14-25(27)40-26-9-11-36(2)16-29(26,30)31/h4-8,10,12-15,17,26H,9,11,16H2,1-3H3,(H,32,33,35)

InChIKeyZHJVVNMSPVPCJI-UHFFFAOYSA-N

MW546.58 g/mol

LogP5.85

Rot. Bonds7

About ZHJVVNMSPVPCJI-UHFFFAOYSA-N

ZHJVVNMSPVPCJI-UHFFFAOYSA-N (PubChem CID 146250691) has the molecular formula C₂₉H₂₈F₂N₆O₃ and a molecular weight of 546.58 g/mol. Its IUPAC name is 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxy-N-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name	ZHJVVNMSPVPCJI-UHFFFAOYSA-N
PubChem CID	146250691
Molecular Formula	C₂₉H₂₈F₂N₆O₃
Molecular Weight	546.58 g/mol
Exact Mass	546.22
IUPAC Name	5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxy-N-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyphenyl)quinazolin-4-amine
SMILES	COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccc5ccnn5c4)c(C)c3)ncnc2c1
InChI	InChI=1S/C29H28F2N6O3/c1-18-12-19(4-7-24(18)39-21-6-5-20-8-10-34-37(20)15-21)35-28-27-23(32-17-33-28)13-22(38-3)14-25(27)40-26-9-11-36(2)16-29(26,30)31/h4-8,10,12-15,17,26H,9,11,16H2,1-3H3,(H,32,33,35)
InChIKey	ZHJVVNMSPVPCJI-UHFFFAOYSA-N
XLogP	5.85
TPSA	86.04 Å²
H-Bond Donors	1
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.58
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ZHJVVNMSPVPCJI-UHFFFAOYSA-N?

The IUPAC name of ZHJVVNMSPVPCJI-UHFFFAOYSA-N (CID 146250691) is 5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxy-N-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyphenyl)quinazolin-4-amine.

What is the SMILES notation for ZHJVVNMSPVPCJI-UHFFFAOYSA-N?

The canonical SMILES for ZHJVVNMSPVPCJI-UHFFFAOYSA-N is COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccc5ccnn5c4)c(C)c3)ncnc2c1.

What is the InChIKey of ZHJVVNMSPVPCJI-UHFFFAOYSA-N?

The InChIKey is ZHJVVNMSPVPCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N6O3/c1-18-12-19(4-7-24(18)39-21-6-5-20-8-10-34-37(20)15-21)35-28-27-23(32-17-33-28)13-22(38-3)14-25(27)40-26-9-11-36(2)16-29(26,30)31/h4-8,10,12-15,17,26H,9,11,16H2,1-3H3,(H,32,33,35).

What are the key properties of ZHJVVNMSPVPCJI-UHFFFAOYSA-N?

ZHJVVNMSPVPCJI-UHFFFAOYSA-N has a molecular weight of 546.58 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ZHJVVNMSPVPCJI-UHFFFAOYSA-N is sourced from PubChem (CID 146250691), 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 146250691 — identifiers, structure, computed properties (public domain)

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