(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine

C18H21N5 — CID 56904558

IUPAC(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCCCc1cc(N[C@H]2Cc3ccccc3[C@@H]2N)n2nccc2n1
InChIInChI=1S/C18H21N5/c1-2-5-13-11-17(23-16(21-13)8-9-20-23)22-15-10-12-6-3-4-7-14(12)18(15)19/h3-4,6-9,11,15,18,22H,2,5,10,19H2,1H3/t15-,18-/m0/s1
InChIKeyVHIFLHLVBMXMQR-YJBOKZPZSA-N
MW307.40 g/mol
LogP2.72
Rot. Bonds4

About (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine

(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 56904558) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID56904558
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCCCc1cc(N[C@H]2Cc3ccccc3[C@@H]2N)n2nccc2n1
InChIInChI=1S/C18H21N5/c1-2-5-13-11-17(23-16(21-13)8-9-20-23)22-15-10-12-6-3-4-7-14(12)18(15)19/h3-4,6-9,11,15,18,22H,2,5,10,19H2,1H3/t15-,18-/m0/s1
InChIKeyVHIFLHLVBMXMQR-YJBOKZPZSA-N
XLogP2.72
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine (CID 56904558) is (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine is CCCc1cc(N[C@H]2Cc3ccccc3[C@@H]2N)n2nccc2n1.
What is the InChIKey of (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is VHIFLHLVBMXMQR-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-5-13-11-17(23-16(21-13)8-9-20-23)22-15-10-12-6-3-4-7-14(12)18(15)19/h3-4,6-9,11,15,18,22H,2,5,10,19H2,1H3/t15-,18-/m0/s1.
What are the key properties of (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine?
(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 307.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 56904558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).