7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine

C16H18N6 — CID 137417936

IUPAC7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine
SMILESNc1cc(N[C@@H]2CCNC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H18N6/c17-16-8-15(20-11-3-5-18-9-11)12-2-1-10(7-14(12)21-16)13-4-6-19-22-13/h1-2,4,6-8,11,18H,3,5,9H2,(H,19,22)(H3,17,20,21)/t11-/m1/s1
InChIKeyCLWFMBDCMFEAQP-LLVKDONJSA-N
MW294.36 g/mol
LogP1.98
Rot. Bonds3

About 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine

7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine (PubChem CID 137417936) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine
PubChem CID137417936
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine
SMILESNc1cc(N[C@@H]2CCNC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H18N6/c17-16-8-15(20-11-3-5-18-9-11)12-2-1-10(7-14(12)21-16)13-4-6-19-22-13/h1-2,4,6-8,11,18H,3,5,9H2,(H,19,22)(H3,17,20,21)/t11-/m1/s1
InChIKeyCLWFMBDCMFEAQP-LLVKDONJSA-N
XLogP1.98
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-7-(1H-pyrazol-5-yl)-1,5-naphthyridine-2,4-diamine
CID 154649456
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-3-amine
CID 79730682
4-N-[3-(3-methylcyclopentyl)butan-2-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 154649504
ethane;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine
CID 142517054
7-(1H-pyrazol-5-yl)-2-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-c]quinolin-4-amine
CID 165369144
4-N-(2-methyl-2-methylsulfinylpropyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 142517015
7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 165369174
(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol
CID 137417600
7-(1H-pyrazol-5-yl)-4-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-2,4-diamine
CID 137417972
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417642
4-N-cyclopentyl-7-(1H-pyrazol-5-yl)-1,8-naphthyridine-2,4-diamine
CID 154649480
7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine
CID 137417608

Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine (CID 137417936) is 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine is Nc1cc(N[C@@H]2CCNC2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine?
The InChIKey is CLWFMBDCMFEAQP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N6/c17-16-8-15(20-11-3-5-18-9-11)12-2-1-10(7-14(12)21-16)13-4-6-19-22-13/h1-2,4,6-8,11,18H,3,5,9H2,(H,19,22)(H3,17,20,21)/t11-/m1/s1.
What are the key properties of 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine?
7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine is sourced from PubChem (CID 137417936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).