[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol

C19H26N6O — CID 118731840

IUPAC[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)C1
InChIInChI=1S/C19H26N6O/c26-11-12-3-2-8-25(10-12)19-20-15-5-1-4-14(15)18(22-19)21-17-9-16(23-24-17)13-6-7-13/h9,12-13,26H,1-8,10-11H2,(H2,20,21,22,23,24)
InChIKeyZCQZGZABGOPUNK-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.52
Rot. Bonds5

About [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol

[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol (PubChem CID 118731840) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol
PubChem CID118731840
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)C1
InChIInChI=1S/C19H26N6O/c26-11-12-3-2-8-25(10-12)19-20-15-5-1-4-14(15)18(22-19)21-17-9-16(23-24-17)13-6-7-13/h9,12-13,26H,1-8,10-11H2,(H2,20,21,22,23,24)
InChIKeyZCQZGZABGOPUNK-UHFFFAOYSA-N
XLogP2.52
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol (CID 118731840) is [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol is OCC1CCCN(c2nc3c(c(Nc4cc(C5CC5)[nH]n4)n2)CCC3)C1.
What is the InChIKey of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol?
The InChIKey is ZCQZGZABGOPUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-11-12-3-2-8-25(10-12)19-20-15-5-1-4-14(15)18(22-19)21-17-9-16(23-24-17)13-6-7-13/h9,12-13,26H,1-8,10-11H2,(H2,20,21,22,23,24).
What are the key properties of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol?
[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol has a molecular weight of 354.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 118731840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).