4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine

C28H29N7 — CID 90099005

IUPAC4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine
SMILESc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C28H29N7/c1-2-4-21-18(3-1)7-8-23(21)32-25-15-20(9-10-31-25)27-33-24-17-30-16-22(19-5-6-19)26(24)28(34-27)35-13-11-29-12-14-35/h1-4,9-10,15-17,19,23,29H,5-8,11-14H2,(H,31,32)/t23-/m1/s1
InChIKeyVCWVKPNJACAJHE-HSZRJFAPSA-N
MW463.59 g/mol
LogP4.47
Rot. Bonds5

About 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine

4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine (PubChem CID 90099005) has the molecular formula C28H29N7 and a molecular weight of 463.59 g/mol. Its IUPAC name is 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine
PubChem CID90099005
Molecular FormulaC28H29N7
Molecular Weight463.59 g/mol
Exact Mass463.25
IUPAC Name4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine
SMILESc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1
InChIInChI=1S/C28H29N7/c1-2-4-21-18(3-1)7-8-23(21)32-25-15-20(9-10-31-25)27-33-24-17-30-16-22(19-5-6-19)26(24)28(34-27)35-13-11-29-12-14-35/h1-4,9-10,15-17,19,23,29H,5-8,11-14H2,(H,31,32)/t23-/m1/s1
InChIKeyVCWVKPNJACAJHE-HSZRJFAPSA-N
XLogP4.47
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine?
The IUPAC name of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine (CID 90099005) is 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine.
What is the SMILES notation for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine?
The canonical SMILES for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine is c1ccc2c(c1)CC[C@H]2Nc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccn1.
What is the InChIKey of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine?
The InChIKey is VCWVKPNJACAJHE-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H29N7/c1-2-4-21-18(3-1)7-8-23(21)32-25-15-20(9-10-31-25)27-33-24-17-30-16-22(19-5-6-19)26(24)28(34-27)35-13-11-29-12-14-35/h1-4,9-10,15-17,19,23,29H,5-8,11-14H2,(H,31,32)/t23-/m1/s1.
What are the key properties of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine?
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine has a molecular weight of 463.59 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine is sourced from PubChem (CID 90099005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).