cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol

C17H19N5O — CID 137417532

IUPACcis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol
SMILESNc1cc(N[C@@H]2CCC[C@@H]2O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H19N5O/c18-17-9-15(20-13-2-1-3-16(13)23)11-5-4-10(8-14(11)21-17)12-6-7-19-22-12/h4-9,13,16,23H,1-3H2,(H,19,22)(H3,18,20,21)/t13-,16+/m1/s1
InChIKeyMKWZYNCGOOSWHJ-CJNGLKHVSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds3

About cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol

cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol (PubChem CID 137417532) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol
PubChem CID137417532
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Namecis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol
SMILESNc1cc(N[C@@H]2CCC[C@@H]2O)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H19N5O/c18-17-9-15(20-13-2-1-3-16(13)23)11-5-4-10(8-14(11)21-17)12-6-7-19-22-12/h4-9,13,16,23H,1-3H2,(H,19,22)(H3,18,20,21)/t13-,16+/m1/s1
InChIKeyMKWZYNCGOOSWHJ-CJNGLKHVSA-N
XLogP2.53
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol (CID 137417532) is cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol is Nc1cc(N[C@@H]2CCC[C@@H]2O)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is MKWZYNCGOOSWHJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H19N5O/c18-17-9-15(20-13-2-1-3-16(13)23)11-5-4-10(8-14(11)21-17)12-6-7-19-22-12/h4-9,13,16,23H,1-3H2,(H,19,22)(H3,18,20,21)/t13-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol?
cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 137417532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).