cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride

C15H20ClN5O — CID 146343885

IUPACcyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
SMILESCl.O=C(c1c[nH]c2ncnc(NC3CCCNC3)c12)C1CC1
InChIInChI=1S/C15H19N5O.ClH/c21-13(9-3-4-9)11-7-17-14-12(11)15(19-8-18-14)20-10-2-1-5-16-6-10;/h7-10,16H,1-6H2,(H2,17,18,19,20);1H
InChIKeyHNWCENSYQGAIBP-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.14
Rot. Bonds4

About cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride

cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride (PubChem CID 146343885) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
PubChem CID146343885
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Namecyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
SMILESCl.O=C(c1c[nH]c2ncnc(NC3CCCNC3)c12)C1CC1
InChIInChI=1S/C15H19N5O.ClH/c21-13(9-3-4-9)11-7-17-14-12(11)15(19-8-18-14)20-10-2-1-5-16-6-10;/h7-10,16H,1-6H2,(H2,17,18,19,20);1H
InChIKeyHNWCENSYQGAIBP-UHFFFAOYSA-N
XLogP2.14
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride?
The IUPAC name of cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride (CID 146343885) is cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride?
The canonical SMILES for cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride is Cl.O=C(c1c[nH]c2ncnc(NC3CCCNC3)c12)C1CC1.
What is the InChIKey of cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride?
The InChIKey is HNWCENSYQGAIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c21-13(9-3-4-9)11-7-17-14-12(11)15(19-8-18-14)20-10-2-1-5-16-6-10;/h7-10,16H,1-6H2,(H2,17,18,19,20);1H.
What are the key properties of cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride?
cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride is sourced from PubChem (CID 146343885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).