8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C19H21N7O — CID 5330260

IUPAC8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CC1
InChIInChI=1S/C19H21N7O/c27-17-6-1-13-11-22-19(24-18(13)26(17)14-2-3-14)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h1,4-6,11-12,14,20H,2-3,7-10H2,(H,21,22,23,24)
InChIKeyTUHDWYREOHGIHM-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.67
Rot. Bonds4

About 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330260) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330260
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CC1
InChIInChI=1S/C19H21N7O/c27-17-6-1-13-11-22-19(24-18(13)26(17)14-2-3-14)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h1,4-6,11-12,14,20H,2-3,7-10H2,(H,21,22,23,24)
InChIKeyTUHDWYREOHGIHM-UHFFFAOYSA-N
XLogP1.67
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330260) is 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CC1.
What is the InChIKey of 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TUHDWYREOHGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c27-17-6-1-13-11-22-19(24-18(13)26(17)14-2-3-14)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h1,4-6,11-12,14,20H,2-3,7-10H2,(H,21,22,23,24).
What are the key properties of 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 363.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).