4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid

C20H21N7O3 — CID 18455529

IUPAC4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CC5)c4n3)nc2)CC1
InChIInChI=1S/C20H21N7O3/c28-17-6-1-13-11-22-19(24-18(13)27(17)14-2-3-14)23-16-5-4-15(12-21-16)25-7-9-26(10-8-25)20(29)30/h1,4-6,11-12,14H,2-3,7-10H2,(H,29,30)(H,21,22,23,24)
InChIKeyMFAIUVDFXGPCGI-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.07
Rot. Bonds4

About 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid

4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 18455529) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid
PubChem CID18455529
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CC5)c4n3)nc2)CC1
InChIInChI=1S/C20H21N7O3/c28-17-6-1-13-11-22-19(24-18(13)27(17)14-2-3-14)23-16-5-4-15(12-21-16)25-7-9-26(10-8-25)20(29)30/h1,4-6,11-12,14H,2-3,7-10H2,(H,29,30)(H,21,22,23,24)
InChIKeyMFAIUVDFXGPCGI-UHFFFAOYSA-N
XLogP2.07
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid (CID 18455529) is 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CC5)c4n3)nc2)CC1.
What is the InChIKey of 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is MFAIUVDFXGPCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c28-17-6-1-13-11-22-19(24-18(13)27(17)14-2-3-14)23-16-5-4-15(12-21-16)25-7-9-26(10-8-25)20(29)30/h1,4-6,11-12,14H,2-3,7-10H2,(H,29,30)(H,21,22,23,24).
What are the key properties of 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid?
4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 407.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 18455529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).