7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide

C26H32N6O3 — CID 60553684

IUPAC7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)N3CCN(c4ccccc4)CC3)cc(C3CC3)nc21
InChIInChI=1S/C26H32N6O3/c1-3-32-23-22(25(34)29-26(32)35)20(15-21(28-23)18-9-10-18)24(33)27-16-17(2)30-11-13-31(14-12-30)19-7-5-4-6-8-19/h4-8,15,17-18H,3,9-14,16H2,1-2H3,(H,27,33)(H,29,34,35)
InChIKeyHARILKCSPHKIQR-UHFFFAOYSA-N
MW476.58 g/mol
LogP1.92
Rot. Bonds7

About 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 60553684) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID60553684
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)N3CCN(c4ccccc4)CC3)cc(C3CC3)nc21
InChIInChI=1S/C26H32N6O3/c1-3-32-23-22(25(34)29-26(32)35)20(15-21(28-23)18-9-10-18)24(33)27-16-17(2)30-11-13-31(14-12-30)19-7-5-4-6-8-19/h4-8,15,17-18H,3,9-14,16H2,1-2H3,(H,27,33)(H,29,34,35)
InChIKeyHARILKCSPHKIQR-UHFFFAOYSA-N
XLogP1.92
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide (CID 60553684) is 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)N3CCN(c4ccccc4)CC3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HARILKCSPHKIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-3-32-23-22(25(34)29-26(32)35)20(15-21(28-23)18-9-10-18)24(33)27-16-17(2)30-11-13-31(14-12-30)19-7-5-4-6-8-19/h4-8,15,17-18H,3,9-14,16H2,1-2H3,(H,27,33)(H,29,34,35).
What are the key properties of 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-ethyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 60553684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).